Geometry & MOs

Info

ID:

231921

PubChem CID:

87574914

Reduced:

SO6C7H10 (1)

Stoich.:

AB6C7D10 (1)

Weight, g/mol:

1325.437608

ΔHf, kcal/mol:

-235.92

Dipole, Da:

2.34

IP(EA), eV:

-11.72(-0.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[3-[2-(azidomethyl)-3-[3-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxy]-2-[3-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxymethyl]propoxy]propyl]thian-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CC1(CC2COC(=O)O2)S(=O)(=O)O

DOS

IR

Vibrations